2,5-dimethyl-5-thiophen-2-ylhexan-2-ol

C12H20OS — CID 18466748

IUPAC2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
SMILESCC(C)(O)CCC(C)(C)c1cccs1
InChIInChI=1S/C12H20OS/c1-11(2,7-8-12(3,4)13)10-6-5-9-14-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyNEWDQVZPSNSWPK-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.58
Rot. Bonds4

About 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol

2,5-dimethyl-5-thiophen-2-ylhexan-2-ol (PubChem CID 18466748) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
PubChem CID18466748
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
SMILESCC(C)(O)CCC(C)(C)c1cccs1
InChIInChI=1S/C12H20OS/c1-11(2,7-8-12(3,4)13)10-6-5-9-14-10/h5-6,9,13H,7-8H2,1-4H3
InChIKeyNEWDQVZPSNSWPK-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-2-thiophen-2-ylpropan-1-amine
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1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
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(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
2-thiophen-2-ylhex-5-yn-2-ol
CID 63656687
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
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CID 96656971

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol?
The IUPAC name of 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol (CID 18466748) is 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol?
The canonical SMILES for 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol is CC(C)(O)CCC(C)(C)c1cccs1.
What is the InChIKey of 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol?
The InChIKey is NEWDQVZPSNSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-11(2,7-8-12(3,4)13)10-6-5-9-14-10/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol?
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol has a molecular weight of 212.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-thiophen-2-ylhexan-2-ol is sourced from PubChem (CID 18466748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).